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Home > Boronic Acids > 955978-85-5
955978-85-5 | 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CAS No: 955978-85-5 Catalog No: AG00IJ7T MDL No:MFCD16987817
Product Description
Catalog Number:
AG00IJ7T
Chemical Name:
6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CAS Number:
955978-85-5
Molecular Formula:
C14H17BFNO2
Molecular Weight:
261.0997
MDL Number:
MFCD16987817
IUPAC Name:
6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
InChI:
InChI=1S/C14H17BFNO2/c1-13(2)14(3,4)19-15(18-13)11-7-9(16)8-12-10(11)5-6-17-12/h5-8,17H,1-4H3
InChI Key:
ULVDSUCFEQPJSB-UHFFFAOYSA-N
SMILES:
Fc1cc(B2OC(C(O2)(C)C)(C)C)c2c(c1)[nH]cc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.134g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.103g/mol
Monoisotopic Mass:
261.134g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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